Activation barriers and rate constants for hydration of platinum and palladium square-planar complexes: An ab initio study

2004 ◽  
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pp. 1253-1262 ◽  
Author(s):  
Jaroslav V. Burda ◽  
Michal Zeizinger ◽  
Jerzy Leszczynski
Keyword(s):  
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Rate Constants ◽  
Ab Initio Study ◽  
Activation Barriers ◽  
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A Systematic ab Initio Study of the Hydration of Selected Palladium Square-Planar Complexes. A Comparison with Platinum Analogues

2001 ◽  
Vol 105 (34) ◽  
pp. 8086-8092 ◽  
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Michal Zeizinger ◽  
Jaroslav V. Burda ◽  
Jiří Šponer ◽  
Vojtěch Kapsa ◽  
Jerzy Leszczynski
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Square Planar ◽  
Square Planar Complexes ◽  
Platinum Analogues

Ab initio study of rate constants of the reaction: HCN + OH → CN + H 2 O

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Vol 108 (6) ◽  
pp. 341-346 ◽  
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Chao Yang Wang ◽  
Shaowen Zhang ◽  
Qian Shu Li
Keyword(s):  
Ab Initio ◽  
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An ab Initio Study of the Transition State and Forward and Reverse Rate Constants for C2H5⇌ H + C2H4

1996 ◽  
Vol 100 (13) ◽  
pp. 5354-5361 ◽  
Author(s):  
William L. Hase ◽  
H. Bernhard Schlegel ◽  
Vsevolod Balbyshev ◽  
Michael Page
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study

Direct ab initio study on the rate constants of radical C2(A3Πu) + C3H8 reaction

2012 ◽  
Vol 19 (3) ◽  
pp. 1009-1018
Author(s):  
Rui-Ping Huo ◽  
Xiang Zhang ◽  
Xu-Ri Huang ◽  
Ji-Lai Li ◽  
Chia-Chung Sun
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study

scholarly journals Ab Initio Study of the Transition State and Forward and Reverse Rate Constants for C2H5⇌ H + C2H4

1997 ◽  
Vol 101 (27) ◽  
pp. 5026-5026 ◽  
Author(s):  
W. L. Hase ◽  
H. B. Schlegel ◽  
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M. Page
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study

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2001 ◽  
Vol 3 (6) ◽  
pp. 965-969 ◽  
Author(s):  
Xiang Zhang ◽  
Yi-hong Ding ◽  
Ze-sheng Li ◽  
Xu-ri Huang ◽  
Chia-chung Sun
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Ab Initio Study

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
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Keyword(s):  
Ab Initio ◽  
Ab Initio Study
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